Geometry & MOs

Info

ID:	78309
PubChem CID:	49684394
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	376.120526
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	6.72
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations